SCHEMBL9720004

SCHEMBL9720004

C=CCCC.CCS(=O)(=O)CC

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
ALDH1A1 P00352 2/20 0.46
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dimethyl Sulfone SCHEMBL3793667 0.86 TSHR (0.71) TSHRALDH1A1CA2CA9
Sulfuric Acid SCHEMBL3096243 0.83 TSHR (0.67) TSHRALDH1A1CA2CA9
SCHEMBL1871536 0.82 TSHR (1.00) TSHRALDH1A1
SCHEMBL7040 0.82
SCHEMBL8468547 0.82 TSHR (1.00) TSHRALDH1A1
SCHEMBL10766982 0.81 TSHR (0.63) TSHRALDH1A1CA2CA9
Hydrogen Sulfide SCHEMBL6037218 0.78 TSHR (0.92) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL9417079 0.78 TSHR (0.92) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL1539045 0.78
Ammonia Solution, Strong SCHEMBL6678273 0.78

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102688-A Fine pattern forming process MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-04-07 US disclosed
US-4507512-A PRETREATED HYDROGEN-TYPE ZEOLITE CATALYST AND SOLVENT; CATALYST SELECTIVITY; ALCOHOLS TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-03-26 US disclosed